4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine

C15H22N2S — CID 136757035

IUPAC4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CCc2ccccc2)N1
InChIInChI=1S/C15H22N2S/c1-3-15(2)10-12-18-14(17-15)16-11-9-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,16,17)
InChIKeyLFOFJFFBFUZBJG-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.48
Rot. Bonds4

About 4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine

4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine (PubChem CID 136757035) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine.

Molecular Properties

Compound Name4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
PubChem CID136757035
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine
SMILESCCC1(C)CCS/C(=N\CCc2ccccc2)N1
InChIInChI=1S/C15H22N2S/c1-3-15(2)10-12-18-14(17-15)16-11-9-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,16,17)
InChIKeyLFOFJFFBFUZBJG-UHFFFAOYSA-N
XLogP3.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine?
The IUPAC name of 4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine (CID 136757035) is 4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine.
What is the SMILES notation for 4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine?
The canonical SMILES for 4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine is CCC1(C)CCS/C(=N\CCc2ccccc2)N1.
What is the InChIKey of 4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine?
The InChIKey is LFOFJFFBFUZBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-3-15(2)10-12-18-14(17-15)16-11-9-13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3,(H,16,17).
What are the key properties of 4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine?
4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine has a molecular weight of 262.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methyl-N-(2-phenylethyl)-1,3-thiazinan-2-imine is sourced from PubChem (CID 136757035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).